Gas Phase Ion Chemistry, Reactivity, and Mechanisms

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Through this award, funded by the Chemical Structure, Dynamics and Mechanisms - A Program of the Division of Chemistry, Prof. Veronica Bierbaum from the University of Colorado, Boulder, will characterize the gas phase ion chemistry, reactivity, and mechanisms of two important classes of chemical systems, alpha-nucleophiles and polycyclic aromatic hydrocarbons. Studies will be carried out with a flowing afterglow-selected ion flow tube coupled with laser-induced acoustic desorption and with an ion trap mass spectrometer. Alpha-nucleophiles, which contain lone electron pairs on the atom adjacent to the nucleophilic site, are known to exhibit enhanced reactivity in solution. These gas phase studies will probe the effect of micro-solvation, the extent of solvation, and the nature of the solvent, nucleophile, and substrate. Reactions of polycyclic aromatic hydrocarbons and their cations and anions will be characterized with a wide array of reagents. This work will provide fundamental kinetic and thermodynamic data on these compounds that are relevant to combustion processes, atmospheric and interstellar chemistry, as well as human health.Chemical processes vary dramatically in their rates, from rapid, explosive reactions to the slow process of human aging. This work will study and correlate reactivity with chemical structures and energies for two important classes of compounds. Highly reactive chemical species will be studied that are important in chemical decontamination, environmental cleanup, and biochemical processes. The reactivity of large derivatives of benzene will be characterized due to their relevance to combustion and human health. A complete understanding of the factors that govern the rates of chemical reactions allows control and optimization of these processes. This work will train graduate students and postdoctoral fellows, including women and underrepresented groups, in the development, execution, and communication of laboratory research, and prepare them for leadership positions in education, research, and other segments of society. The results will be widely disseminated by publication in scientific journals and databases, and integrated into several educational outreach programs.